CID 80994

6498-81-3

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CC(=C)C(=O)OCCN1CC1

InChI

InChI=1S/C8H13NO2/c1-7(2)8(10)11-6-5-9-3-4-9/h1,3-6H2,2H3

InChIKey

XEZCCHVCBAZAQD-UHFFFAOYSA-N

Compound name

2-(aziridin-1-yl)ethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 967
Patents: 155.09464 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	156.101916	137.9
[M+Na]+	178.083858	146.5
[M-H]-	154.087364	141.0
[M+NH4]+	173.128463	152.8
[M+K]+	194.057798	144.5
[M+H-H2O]+	138.091900	131.2
[M+HCOO]-	200.092841	159.1
[M+CH3COO]-	214.108491	180.8
[M+Na-2H]-	176.069306	141.8
[M]+	155.09409142	141.6
[M]-	155.09518858	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe